CID 13377309

3-(2-methylpropyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)CC1=NOC(=C1)N
InChI
InChI=1S/C7H12N2O/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3,8H2,1-2H3
InChIKey
DZDIGBUGYPBFNY-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

140.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 129.7
[M+Na]+ 163.084178 137.7
[M-H]- 139.087684 132.4
[M+NH4]+ 158.128783 150.2
[M+K]+ 179.058118 137.8
[M+H-H2O]+ 123.092220 123.5
[M+HCOO]- 185.093161 153.0
[M+CH3COO]- 199.108811 176.0
[M+Na-2H]- 161.069626 134.8
[M]+ 140.09441142 130.0
[M]- 140.09550858 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe